2-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid

C10H18N2O3S — CID 80500725

IUPAC2-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)(C)NC(=O)CC1NC(C(=O)O)CS1
InChIInChI=1S/C10H18N2O3S/c1-10(2,3)12-7(13)4-8-11-6(5-16-8)9(14)15/h6,8,11H,4-5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyHAJIUMUKJOAGJM-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.41
Rot. Bonds3

About 2-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid

2-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 80500725) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID80500725
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name2-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)(C)NC(=O)CC1NC(C(=O)O)CS1
InChIInChI=1S/C10H18N2O3S/c1-10(2,3)12-7(13)4-8-11-6(5-16-8)9(14)15/h6,8,11H,4-5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyHAJIUMUKJOAGJM-UHFFFAOYSA-N
XLogP0.41
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid (CID 80500725) is 2-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid is CC(C)(C)NC(=O)CC1NC(C(=O)O)CS1.
What is the InChIKey of 2-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HAJIUMUKJOAGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-10(2,3)12-7(13)4-8-11-6(5-16-8)9(14)15/h6,8,11H,4-5H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid?
2-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 246.33 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 80500725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).